6533b83afe1ef96bd12a6f20

RESEARCH PRODUCT

Prediction of new inorganic molecules with quantum chemical methods

Laura Gagliardi

subject

Quantum chemicalActinide chemistryCASPT2ChemistryActinideQuantum chemistryActinidesMetalChemical bondChemical physicsvisual_artddc:540Halogenvisual_art.visual_art_mediumMoleculeMetal-polynitrogen clustersMetal polyhydridesGoldPhysical and Theoretical Chemistry

description

Quantum chemistry can today be employed to invent new molecules and explore unknown molecular bonding. An overview of novel species containing metals bound to polynitrogen clusters is presented. The prediction of metal polyhydrides is discussed. Finally, some species containing gold that behaves as a halogen are described, together with recent advances in actinide chemistry and exploration of the nature of the actinide–actinide chemical bonding.

http://hdl.handle.net/10447/2990